6-(4-fluorophenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-N-spiro[2.3]hexan-5-yl-1,8-naphthyridine-3-carboxamide

C27H29FN4O4 — CID 166831352

IUPAC6-(4-fluorophenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-N-spiro[2.3]hexan-5-yl-1,8-naphthyridine-3-carboxamide
SMILESO=C(NC1CC2(CC2)C1)c1c(O)c2cc(-c3ccc(F)cc3)cnc2n(CCN2CCOCC2)c1=O
InChIInChI=1S/C27H29FN4O4/c28-19-3-1-17(2-4-19)18-13-21-23(33)22(25(34)30-20-14-27(15-20)5-6-27)26(35)32(24(21)29-16-18)8-7-31-9-11-36-12-10-31/h1-4,13,16,20,33H,5-12,14-15H2,(H,30,34)
InChIKeyZUGKITCDRJEWGV-UHFFFAOYSA-N
MW492.55 g/mol
LogP2.91
Rot. Bonds6

About 6-(4-fluorophenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-N-spiro[2.3]hexan-5-yl-1,8-naphthyridine-3-carboxamide

6-(4-fluorophenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-N-spiro[2.3]hexan-5-yl-1,8-naphthyridine-3-carboxamide (PubChem CID 166831352) has the molecular formula C27H29FN4O4 and a molecular weight of 492.55 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-N-spiro[2.3]hexan-5-yl-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name6-(4-fluorophenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-N-spiro[2.3]hexan-5-yl-1,8-naphthyridine-3-carboxamide
PubChem CID166831352
Molecular FormulaC27H29FN4O4
Molecular Weight492.55 g/mol
Exact Mass492.22
IUPAC Name6-(4-fluorophenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-N-spiro[2.3]hexan-5-yl-1,8-naphthyridine-3-carboxamide
SMILESO=C(NC1CC2(CC2)C1)c1c(O)c2cc(-c3ccc(F)cc3)cnc2n(CCN2CCOCC2)c1=O
InChIInChI=1S/C27H29FN4O4/c28-19-3-1-17(2-4-19)18-13-21-23(33)22(25(34)30-20-14-27(15-20)5-6-27)26(35)32(24(21)29-16-18)8-7-31-9-11-36-12-10-31/h1-4,13,16,20,33H,5-12,14-15H2,(H,30,34)
InChIKeyZUGKITCDRJEWGV-UHFFFAOYSA-N
XLogP2.91
TPSA96.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.55
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-N-spiro[2.3]hexan-5-yl-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 6-(4-fluorophenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-N-spiro[2.3]hexan-5-yl-1,8-naphthyridine-3-carboxamide (CID 166831352) is 6-(4-fluorophenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-N-spiro[2.3]hexan-5-yl-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 6-(4-fluorophenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-N-spiro[2.3]hexan-5-yl-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 6-(4-fluorophenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-N-spiro[2.3]hexan-5-yl-1,8-naphthyridine-3-carboxamide is O=C(NC1CC2(CC2)C1)c1c(O)c2cc(-c3ccc(F)cc3)cnc2n(CCN2CCOCC2)c1=O.
What is the InChIKey of 6-(4-fluorophenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-N-spiro[2.3]hexan-5-yl-1,8-naphthyridine-3-carboxamide?
The InChIKey is ZUGKITCDRJEWGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29FN4O4/c28-19-3-1-17(2-4-19)18-13-21-23(33)22(25(34)30-20-14-27(15-20)5-6-27)26(35)32(24(21)29-16-18)8-7-31-9-11-36-12-10-31/h1-4,13,16,20,33H,5-12,14-15H2,(H,30,34).
What are the key properties of 6-(4-fluorophenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-N-spiro[2.3]hexan-5-yl-1,8-naphthyridine-3-carboxamide?
6-(4-fluorophenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-N-spiro[2.3]hexan-5-yl-1,8-naphthyridine-3-carboxamide has a molecular weight of 492.55 g/mol, XLogP of 2.91, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-N-spiro[2.3]hexan-5-yl-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 166831352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).